2-amino-8-propyl-3,7-dihydropurine-6-thione

C8H11N5S — CID 3923645

IUPAC2-amino-8-propyl-3,7-dihydropurine-6-thione
SMILESCCCc1nc2[nH]c(N)nc(=S)c2[nH]1
InChIInChI=1S/C8H11N5S/c1-2-3-4-10-5-6(11-4)12-8(9)13-7(5)14/h2-3H2,1H3,(H4,9,10,11,12,13,14)
InChIKeyKOEKGQWQJZRMPH-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.55
Rot. Bonds2

About 2-amino-8-propyl-3,7-dihydropurine-6-thione

2-amino-8-propyl-3,7-dihydropurine-6-thione (PubChem CID 3923645) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-amino-8-propyl-3,7-dihydropurine-6-thione.

Molecular Properties

Compound Name2-amino-8-propyl-3,7-dihydropurine-6-thione
PubChem CID3923645
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name2-amino-8-propyl-3,7-dihydropurine-6-thione
SMILESCCCc1nc2[nH]c(N)nc(=S)c2[nH]1
InChIInChI=1S/C8H11N5S/c1-2-3-4-10-5-6(11-4)12-8(9)13-7(5)14/h2-3H2,1H3,(H4,9,10,11,12,13,14)
InChIKeyKOEKGQWQJZRMPH-UHFFFAOYSA-N
XLogP1.55
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 135603538
2-Methyl-6-thiopurine
CID 3037429
8-Methyl-6-thiopurine
CID 3260096
AC1Mskt9
CID 3560854
6-Ethyl-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 135860629
(2,5-Dimethyl-1H-imidazol-4-yl)methanamine
CID 82373820
3-Butyl-6-mercaptopurine
CID 3571241
8-Amino-6-thiopurine
CID 3815626
AC1Myd62
CID 3829955
Methyl mercapto-purine
CID 12872083
4-Methyl-1h-imidazole-2,5-diamine
CID 18959001
Dimethyl-propylimidazol
CID 21524486

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-propyl-3,7-dihydropurine-6-thione?
The IUPAC name of 2-amino-8-propyl-3,7-dihydropurine-6-thione (CID 3923645) is 2-amino-8-propyl-3,7-dihydropurine-6-thione.
What is the SMILES notation for 2-amino-8-propyl-3,7-dihydropurine-6-thione?
The canonical SMILES for 2-amino-8-propyl-3,7-dihydropurine-6-thione is CCCc1nc2[nH]c(N)nc(=S)c2[nH]1.
What is the InChIKey of 2-amino-8-propyl-3,7-dihydropurine-6-thione?
The InChIKey is KOEKGQWQJZRMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-2-3-4-10-5-6(11-4)12-8(9)13-7(5)14/h2-3H2,1H3,(H4,9,10,11,12,13,14).
What are the key properties of 2-amino-8-propyl-3,7-dihydropurine-6-thione?
2-amino-8-propyl-3,7-dihydropurine-6-thione has a molecular weight of 209.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-propyl-3,7-dihydropurine-6-thione is sourced from PubChem (CID 3923645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).